CAS No.65673-86-1,7-METHYL-2,3-DIHYDRO-1H-INDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65673-86-1
Name:	7-METHYL-2,3-DIHYDRO-1H-INDOLE
Article Data:	19

Formula:	C₉H₁₁N
Molecular Weight:	133.193
Synonyms:	7-Methylindoline;
Density:	1.018 g/cm³
Boiling Point:	233.278 °C at 760 mmHg
Flash Point:	98.394 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	12.03000
LogP:	2.10100

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Specification

The systematic name of 7-Methylindoline is 7-methyl-2,3-dihydro-1H-indole. With the CAS registry number 65673-86-1, it is also named as 1H-Indole,2,3-dihydro-7-methyl-. The product's category is Indoline & Oxindole. In addition, its molecular formula is C₉H₁₁N and its molecular weight is 133.19.

The other characteristics of 7-Methylindoline can be summarized as: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 221; (8)ACD/KOC (pH 7.4): 323; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 41.988 cm³; (15)Molar Volume: 130.833 cm³; (16)Polarizability: 16.646×10^-24cm³; (17)Surface Tension: 37.571 dyne/cm; (18)Density: 1.018 g/cm³; (19)Flash Point: 98.394 °C; (20)Enthalpy of Vaporization: 46.999 kJ/mol; (21)Boiling Point: 233.278 °C at 760 mmHg; (22)Vapour Pressure: 0.056 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cccc2CCNc12
(2)InChI: InChI=1/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
(3)InChIKey: WHPDSANSNOUOLZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
(5)Std. InChIKey: WHPDSANSNOUOLZ-UHFFFAOYSA-N